5-cyano-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide

C12H9N3O4S2 — CID 106269563

IUPAC5-cyano-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C12H9N3O4S2/c1-8-2-3-9(15(16)17)6-11(8)14-21(18,19)12-5-4-10(7-13)20-12/h2-6,14H,1H3
InChIKeyQQNIEBRILSXPNG-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.64
Rot. Bonds4

About 5-cyano-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide

5-cyano-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide (PubChem CID 106269563) has the molecular formula C12H9N3O4S2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-cyano-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide
PubChem CID106269563
Molecular FormulaC12H9N3O4S2
Molecular Weight323.36 g/mol
Exact Mass323.00
IUPAC Name5-cyano-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C12H9N3O4S2/c1-8-2-3-9(15(16)17)6-11(8)14-21(18,19)12-5-4-10(7-13)20-12/h2-6,14H,1H3
InChIKeyQQNIEBRILSXPNG-UHFFFAOYSA-N
XLogP2.64
TPSA113.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide
CID 971680
N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide
CID 106265196
N-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
CID 7938611
4-fluoro-3-methyl-N-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 98674097
N-(2,5-dimethylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7573611
5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide
CID 114189417
3,4-dimethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 22774279
3-bromo-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide
CID 61062554
4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 7510436
N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide
CID 7514342
2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide
CID 61051309
5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 106269401

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide (CID 106269563) is 5-cyano-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide is Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide?
The InChIKey is QQNIEBRILSXPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4S2/c1-8-2-3-9(15(16)17)6-11(8)14-21(18,19)12-5-4-10(7-13)20-12/h2-6,14H,1H3.
What are the key properties of 5-cyano-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide?
5-cyano-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide has a molecular weight of 323.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106269563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).